SCHEMBL2903674

SCHEMBL2903674

CN(C)CCN(Cc1ccccn1)Cc1ccccn1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.79
TDP1 Q9NUW8 2/20 0.79
MAPT P10636 1/20 0.79
LIN28A Q9H9Z2 1/20 0.79
CYP2C19 P33261 4/20 0.51
CYP2D6 P10635 3/20 0.51
TERT O14746 1/20 0.50
CHRM2 P08172 3/20 0.47
ADRA2A P08913 2/20 0.47
DRD1 P21728 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
ADRA1A P35348 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KCNH2 Q12809 2/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
OPRK1 P41145 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL343596 0.98 SMN1; SMN2 (0.81) SMN1; SMN2TDP1MAPTLIN28ACYP2C19
SCHEMBL10027665 0.95 SMN1; SMN2 (0.75) SMN1; SMN2TDP1MAPTLIN28ACYP2C19
SCHEMBL29427509 0.89 TDP1 (1.00) SMN1; SMN2TDP1MAPTLIN28ATERT
SCHEMBL231092 0.89 TDP1 (1.00) SMN1; SMN2TDP1MAPTLIN28ATERT
SCHEMBL10609540 0.87 TDP1 (0.96) SMN1; SMN2TDP1MAPTLIN28ATERT
SCHEMBL15483843 0.86 TDP1 (0.63) SMN1; SMN2TDP1MAPTLIN28ACYP2C19
SCHEMBL3626637 0.86 TDP1 (0.79) SMN1; SMN2TDP1MAPTLIN28ACYP2C19
SCHEMBL138261 0.84 SMN1; SMN2 (0.83) SMN1; SMN2TDP1MAPTLIN28ATERT
SCHEMBL6864949 0.84 TDP1 (0.81) SMN1; SMN2TDP1MAPTLIN28ACYP2D6
SCHEMBL15483564 0.83 SMN1; SMN2 (0.58) SMN1; SMN2TDP1MAPTLIN28ACYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215096-A1 COPPER-OXYGEN ADDUCT COMPLEXES Justus-Liebig-Universität Gießen (DE) 2010-08-11 EP disclosed
WO-2009052809-A1 COPPER-OXYGEN ADDUCT COMPLEXES JUSTUS-LIEBIG-UNIVERSITÄT GIESSEN (DE) 2009-04-30 WO disclosed